4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-2,4-diamine

C21H24FN7 — CID 86613147

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-2,4-diamine
SMILESC[C@H](Nc1nc2c(c(Nc3cc(C4CC4)[nH]n3)n1)CCCN2)c1ccc(F)cc1
InChIInChI=1S/C21H24FN7/c1-12(13-6-8-15(22)9-7-13)24-21-26-19-16(3-2-10-23-19)20(27-21)25-18-11-17(28-29-18)14-4-5-14/h6-9,11-12,14H,2-5,10H2,1H3,(H4,23,24,25,26,27,28,29)/t12-/m0/s1
InChIKeyRVQNDXNZONAVMQ-LBPRGKRZSA-N
MW393.47 g/mol
LogP4.49
Rot. Bonds6

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-2,4-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 86613147) has the molecular formula C21H24FN7 and a molecular weight of 393.47 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID86613147
Molecular FormulaC21H24FN7
Molecular Weight393.47 g/mol
Exact Mass393.21
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-2,4-diamine
SMILESC[C@H](Nc1nc2c(c(Nc3cc(C4CC4)[nH]n3)n1)CCCN2)c1ccc(F)cc1
InChIInChI=1S/C21H24FN7/c1-12(13-6-8-15(22)9-7-13)24-21-26-19-16(3-2-10-23-19)20(27-21)25-18-11-17(28-29-18)14-4-5-14/h6-9,11-12,14H,2-5,10H2,1H3,(H4,23,24,25,26,27,28,29)/t12-/m0/s1
InChIKeyRVQNDXNZONAVMQ-LBPRGKRZSA-N
XLogP4.49
TPSA90.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

7-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]quinazoline-2,4-diamine
CID 68898803
2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-nitropyrimidine-2,4-diamine
CID 91230883
6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyridine-3-carbaldehyde
CID 86620610
2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]ethanol
CID 69234321
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-7-(2-pyrrolidin-1-ylethoxy)quinazoline-2,4-diamine
CID 140533459
2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-fluoro-6-N-[1-(4-fluorophenyl)ethyl]-5-nitropyridine-2,6-diamine
CID 77294915
5-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 68602988
6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-nitropyridine-2,6-diamine
CID 91611148
N-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-pyridinyl]methyl]methanesulfonamide
CID 69285772
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,4,5-triamine
CID 67478872
2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(1S)-1-(4-fluorophenyl)ethyl]benzene-1,2,4-triamine
CID 67478851
(2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-2-(4-fluorophenyl)ethanol
CID 68900059

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-2,4-diamine (CID 86613147) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-2,4-diamine is C[C@H](Nc1nc2c(c(Nc3cc(C4CC4)[nH]n3)n1)CCCN2)c1ccc(F)cc1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is RVQNDXNZONAVMQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C21H24FN7/c1-12(13-6-8-15(22)9-7-13)24-21-26-19-16(3-2-10-23-19)20(27-21)25-18-11-17(28-29-18)14-4-5-14/h6-9,11-12,14H,2-5,10H2,1H3,(H4,23,24,25,26,27,28,29)/t12-/m0/s1.
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 393.47 g/mol, XLogP of 4.49, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 86613147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).