6-chloro-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1R,2R)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine

C22H22ClN7O — CID 86766621

IUPAC6-chloro-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1R,2R)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine
SMILESCc1c(Cl)nc(OC[C@@H]2C[C@H]2c2ccc3ncccc3n2)nc1NCc1cnn(C)c1
InChIInChI=1S/C22H22ClN7O/c1-13-20(23)28-22(29-21(13)25-9-14-10-26-30(2)11-14)31-12-15-8-16(15)17-5-6-18-19(27-17)4-3-7-24-18/h3-7,10-11,15-16H,8-9,12H2,1-2H3,(H,25,28,29)/t15-,16+/m0/s1
InChIKeyZTRLAMWVWONPNK-JKSUJKDBSA-N
MW435.92 g/mol
LogP3.91
Rot. Bonds7

About 6-chloro-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1R,2R)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine

6-chloro-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1R,2R)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine (PubChem CID 86766621) has the molecular formula C22H22ClN7O and a molecular weight of 435.92 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1R,2R)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1R,2R)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine
PubChem CID86766621
Molecular FormulaC22H22ClN7O
Molecular Weight435.92 g/mol
Exact Mass435.16
IUPAC Name6-chloro-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1R,2R)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine
SMILESCc1c(Cl)nc(OC[C@@H]2C[C@H]2c2ccc3ncccc3n2)nc1NCc1cnn(C)c1
InChIInChI=1S/C22H22ClN7O/c1-13-20(23)28-22(29-21(13)25-9-14-10-26-30(2)11-14)31-12-15-8-16(15)17-5-6-18-19(27-17)4-3-7-24-18/h3-7,10-11,15-16H,8-9,12H2,1-2H3,(H,25,28,29)/t15-,16+/m0/s1
InChIKeyZTRLAMWVWONPNK-JKSUJKDBSA-N
XLogP3.91
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.92
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-chloro-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1R,2R)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine with MolForge

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Related Compounds

6-chloro-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
CID 86766622
6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[[2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine
CID 127041888
7-(1-methylpyrazol-4-yl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 66556035
7-(1-methylpyrazol-4-yl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 68309299
6-chloro-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyl-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine
CID 56949364
6-methoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine
CID 56949458
6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-1,6-naphthyridine
CID 91799413
2-cyclopropyl-7-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-6,8-dihydro-5H-1,7-naphthyridine
CID 91799440
N-methyl-6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
CID 91799513
2-cyclopropyl-6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-1,6-naphthyridine
CID 91799515
6-cyclopropyl-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-2,7-naphthyridine
CID 91799522
4-N,4-N,5-trimethyl-6-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine-4,6-diamine
CID 56949356

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1R,2R)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1R,2R)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine (CID 86766621) is 6-chloro-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1R,2R)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1R,2R)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1R,2R)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine is Cc1c(Cl)nc(OC[C@@H]2C[C@H]2c2ccc3ncccc3n2)nc1NCc1cnn(C)c1.
What is the InChIKey of 6-chloro-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1R,2R)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine?
The InChIKey is ZTRLAMWVWONPNK-JKSUJKDBSA-N. The full InChI is InChI=1S/C22H22ClN7O/c1-13-20(23)28-22(29-21(13)25-9-14-10-26-30(2)11-14)31-12-15-8-16(15)17-5-6-18-19(27-17)4-3-7-24-18/h3-7,10-11,15-16H,8-9,12H2,1-2H3,(H,25,28,29)/t15-,16+/m0/s1.
What are the key properties of 6-chloro-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1R,2R)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine?
6-chloro-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1R,2R)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine has a molecular weight of 435.92 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[[(1R,2R)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine is sourced from PubChem (CID 86766621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).