6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine

C25H31N9O — CID 139450216

IUPAC6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine
SMILESCC(C)Oc1ccc(Nc2nc(Nc3ccn4ccnc4c3)cc(N3CCN(C)[C@@H](C)C3)n2)cn1
InChIInChI=1S/C25H31N9O/c1-17(2)35-24-6-5-20(15-27-24)29-25-30-21(28-19-7-9-33-10-8-26-22(33)13-19)14-23(31-25)34-12-11-32(4)18(3)16-34/h5-10,13-15,17-18H,11-12,16H2,1-4H3,(H2,28,29,30,31)/t18-/m0/s1
InChIKeyBWCHZNVDTPWNFV-SFHVURJKSA-N
MW473.59 g/mol
LogP3.93
Rot. Bonds7

About 6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine

6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine (PubChem CID 139450216) has the molecular formula C25H31N9O and a molecular weight of 473.59 g/mol. Its IUPAC name is 6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine
PubChem CID139450216
Molecular FormulaC25H31N9O
Molecular Weight473.59 g/mol
Exact Mass473.27
IUPAC Name6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine
SMILESCC(C)Oc1ccc(Nc2nc(Nc3ccn4ccnc4c3)cc(N3CCN(C)[C@@H](C)C3)n2)cn1
InChIInChI=1S/C25H31N9O/c1-17(2)35-24-6-5-20(15-27-24)29-25-30-21(28-19-7-9-33-10-8-26-22(33)13-19)14-23(31-25)34-12-11-32(4)18(3)16-34/h5-10,13-15,17-18H,11-12,16H2,1-4H3,(H2,28,29,30,31)/t18-/m0/s1
InChIKeyBWCHZNVDTPWNFV-SFHVURJKSA-N
XLogP3.93
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.59
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine
CID 139450018
4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine
CID 139450029
6-[(3S)-3,4-dimethylpiperazin-1-yl]-2-N-(4,6-dimethyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-ylpyrimidine-2,4-diamine
CID 139450015
2-N-(6-butoxy-3-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 139450069
2-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 139450095
6-[(3S,4S)-3,4-dimethylpyrrolidin-1-yl]-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[6-(2-methylpropyl)-2-pyridinyl]pyrimidine-2,4-diamine
CID 139450070
2-N-(6-chloro-4-methyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-ylpyrimidine-2,4-diamine
CID 139450142
4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-piperidin-1-ylpyrimidine-2,4-diamine
CID 145179661
4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-yl-2-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 145179637
2-N-[6-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-N-imidazo[1,2-a]pyridin-7-yl-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
CID 139450206
6-(aziridin-1-yl)-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 145179592
3-[[4-(imidazo[1,2-a]pyridin-7-ylamino)-6-morpholin-4-ylpyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol
CID 145179646

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine (CID 139450216) is 6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine is CC(C)Oc1ccc(Nc2nc(Nc3ccn4ccnc4c3)cc(N3CCN(C)[C@@H](C)C3)n2)cn1.
What is the InChIKey of 6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine?
The InChIKey is BWCHZNVDTPWNFV-SFHVURJKSA-N. The full InChI is InChI=1S/C25H31N9O/c1-17(2)35-24-6-5-20(15-27-24)29-25-30-21(28-19-7-9-33-10-8-26-22(33)13-19)14-23(31-25)34-12-11-32(4)18(3)16-34/h5-10,13-15,17-18H,11-12,16H2,1-4H3,(H2,28,29,30,31)/t18-/m0/s1.
What are the key properties of 6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine?
6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine has a molecular weight of 473.59 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 139450216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).