5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-[1-[5-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]amino]-1,6-naphthyridin-8-yl]-5-methylpyrazol-3-yl]-1,6-naphthyridine-5,7-diamine

C34H39N11 — CID 163249366

IUPAC5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-[1-[5-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]amino]-1,6-naphthyridin-8-yl]-5-methylpyrazol-3-yl]-1,6-naphthyridine-5,7-diamine
SMILESCc1cc(Nc2cc3ncccc3c(NC3C[C@H]4CC[C@@H](C3)N4)n2)nn1-c1cnc(NC2C[C@H]3CC[C@@H](C2)N3)c2cccnc12
InChIInChI=1S/C34H39N11/c1-19-12-31(42-30-17-28-26(4-2-10-35-28)34(43-30)41-25-15-22-8-9-23(16-25)39-22)44-45(19)29-18-37-33(27-5-3-11-36-32(27)29)40-24-13-20-6-7-21(14-24)38-20/h2-5,10-12,17-18,20-25,38-39H,6-9,13-16H2,1H3,(H,37,40)(H2,41,42,43,44)/t20-,21+,22-,23+,24?,25?
InChIKeyFIFSTFNWVRRFGD-GEVDVRMCSA-N
MW601.76 g/mol
LogP5.20
Rot. Bonds7

About 5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-[1-[5-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]amino]-1,6-naphthyridin-8-yl]-5-methylpyrazol-3-yl]-1,6-naphthyridine-5,7-diamine

5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-[1-[5-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]amino]-1,6-naphthyridin-8-yl]-5-methylpyrazol-3-yl]-1,6-naphthyridine-5,7-diamine (PubChem CID 163249366) has the molecular formula C34H39N11 and a molecular weight of 601.76 g/mol. Its IUPAC name is 5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-[1-[5-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]amino]-1,6-naphthyridin-8-yl]-5-methylpyrazol-3-yl]-1,6-naphthyridine-5,7-diamine.

Molecular Properties

Compound Name5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-[1-[5-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]amino]-1,6-naphthyridin-8-yl]-5-methylpyrazol-3-yl]-1,6-naphthyridine-5,7-diamine
PubChem CID163249366
Molecular FormulaC34H39N11
Molecular Weight601.76 g/mol
Exact Mass601.34
IUPAC Name5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-[1-[5-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]amino]-1,6-naphthyridin-8-yl]-5-methylpyrazol-3-yl]-1,6-naphthyridine-5,7-diamine
SMILESCc1cc(Nc2cc3ncccc3c(NC3C[C@H]4CC[C@@H](C3)N4)n2)nn1-c1cnc(NC2C[C@H]3CC[C@@H](C2)N3)c2cccnc12
InChIInChI=1S/C34H39N11/c1-19-12-31(42-30-17-28-26(4-2-10-35-28)34(43-30)41-25-15-22-8-9-23(16-25)39-22)44-45(19)29-18-37-33(27-5-3-11-36-32(27)29)40-24-13-20-6-7-21(14-24)38-20/h2-5,10-12,17-18,20-25,38-39H,6-9,13-16H2,1H3,(H,37,40)(H2,41,42,43,44)/t20-,21+,22-,23+,24?,25?
InChIKeyFIFSTFNWVRRFGD-GEVDVRMCSA-N
XLogP5.20
TPSA129.53 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500601.76
LogP ≤ 55.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-[1-[5-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]amino]-1,6-naphthyridin-8-yl]-5-methylpyrazol-3-yl]-1,6-naphthyridine-5,7-diamine with MolForge

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Related Compounds

5-N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine;methane
CID 165092955
N-(3-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62252990
3-[(1R,5S)-3-[[7-[(5-methyl-1-propan-2-ylpyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 171457733
7-N-(5-methyl-1H-pyrazol-3-yl)-5-N-[(5S)-8-(piperidin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,6-naphthyridine-5,7-diamine
CID 167341844
7-N-(5-methyl-1H-pyrazol-3-yl)-5-N-[(5S)-9-pyridin-3-ylsulfanyl-9-azabicyclo[3.3.1]nonan-3-yl]-1,6-naphthyridine-5,7-diamine
CID 146259511
3-[[(5S)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]methyl]cyclobutane-1-carbonitrile
CID 167341783
3-[3-[[7-[(2-methyl-1H-imidazol-5-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 166769974
7-N-(5-methyl-1H-pyrazol-3-yl)-5-N-[(1R,5S)-8-(4H-pyrazol-4-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-1,6-naphthyridine-5,7-diamine
CID 167341951
5-N-(9-ethylsulfinyl-9-azabicyclo[3.3.1]nonan-3-yl)-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine
CID 139375700
N-(2-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62771817
5-N-[(1S,5S)-9-[(5-fluoro-3-pyridinyl)sulfonyl]-9-azabicyclo[3.3.1]nonan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine
CID 146259504
3-[3-[(1R,5S)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]azetidin-1-yl]propanenitrile
CID 146645218

Frequently Asked Questions

What is the IUPAC name of 5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-[1-[5-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]amino]-1,6-naphthyridin-8-yl]-5-methylpyrazol-3-yl]-1,6-naphthyridine-5,7-diamine?
The IUPAC name of 5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-[1-[5-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]amino]-1,6-naphthyridin-8-yl]-5-methylpyrazol-3-yl]-1,6-naphthyridine-5,7-diamine (CID 163249366) is 5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-[1-[5-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]amino]-1,6-naphthyridin-8-yl]-5-methylpyrazol-3-yl]-1,6-naphthyridine-5,7-diamine.
What is the SMILES notation for 5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-[1-[5-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]amino]-1,6-naphthyridin-8-yl]-5-methylpyrazol-3-yl]-1,6-naphthyridine-5,7-diamine?
The canonical SMILES for 5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-[1-[5-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]amino]-1,6-naphthyridin-8-yl]-5-methylpyrazol-3-yl]-1,6-naphthyridine-5,7-diamine is Cc1cc(Nc2cc3ncccc3c(NC3C[C@H]4CC[C@@H](C3)N4)n2)nn1-c1cnc(NC2C[C@H]3CC[C@@H](C2)N3)c2cccnc12.
What is the InChIKey of 5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-[1-[5-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]amino]-1,6-naphthyridin-8-yl]-5-methylpyrazol-3-yl]-1,6-naphthyridine-5,7-diamine?
The InChIKey is FIFSTFNWVRRFGD-GEVDVRMCSA-N. The full InChI is InChI=1S/C34H39N11/c1-19-12-31(42-30-17-28-26(4-2-10-35-28)34(43-30)41-25-15-22-8-9-23(16-25)39-22)44-45(19)29-18-37-33(27-5-3-11-36-32(27)29)40-24-13-20-6-7-21(14-24)38-20/h2-5,10-12,17-18,20-25,38-39H,6-9,13-16H2,1H3,(H,37,40)(H2,41,42,43,44)/t20-,21+,22-,23+,24?,25?.
What are the key properties of 5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-[1-[5-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]amino]-1,6-naphthyridin-8-yl]-5-methylpyrazol-3-yl]-1,6-naphthyridine-5,7-diamine?
5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-[1-[5-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]amino]-1,6-naphthyridin-8-yl]-5-methylpyrazol-3-yl]-1,6-naphthyridine-5,7-diamine has a molecular weight of 601.76 g/mol, XLogP of 5.20, 7 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-7-N-[1-[5-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]amino]-1,6-naphthyridin-8-yl]-5-methylpyrazol-3-yl]-1,6-naphthyridine-5,7-diamine is sourced from PubChem (CID 163249366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).