2-N-(6-chloro-4-methyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-ylpyrimidine-2,4-diamine

C22H23ClN8 — CID 139450142

IUPAC2-N-(6-chloro-4-methyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-ylpyrimidine-2,4-diamine
SMILESCc1cc(Cl)nc(Nc2nc(Nc3ccn4ccnc4c3)cc(N3CCCCC3)n2)c1
InChIInChI=1S/C22H23ClN8/c1-15-11-17(23)26-18(12-15)27-22-28-19(14-21(29-22)30-7-3-2-4-8-30)25-16-5-9-31-10-6-24-20(31)13-16/h5-6,9-14H,2-4,7-8H2,1H3,(H2,25,26,27,28,29)
InChIKeySPPUKLDVBYRYOJ-UHFFFAOYSA-N
MW434.94 g/mol
LogP4.96
Rot. Bonds5

About 2-N-(6-chloro-4-methyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-ylpyrimidine-2,4-diamine

2-N-(6-chloro-4-methyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-ylpyrimidine-2,4-diamine (PubChem CID 139450142) has the molecular formula C22H23ClN8 and a molecular weight of 434.94 g/mol. Its IUPAC name is 2-N-(6-chloro-4-methyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(6-chloro-4-methyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-ylpyrimidine-2,4-diamine
PubChem CID139450142
Molecular FormulaC22H23ClN8
Molecular Weight434.94 g/mol
Exact Mass434.17
IUPAC Name2-N-(6-chloro-4-methyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-ylpyrimidine-2,4-diamine
SMILESCc1cc(Cl)nc(Nc2nc(Nc3ccn4ccnc4c3)cc(N3CCCCC3)n2)c1
InChIInChI=1S/C22H23ClN8/c1-15-11-17(23)26-18(12-15)27-22-28-19(14-21(29-22)30-7-3-2-4-8-30)25-16-5-9-31-10-6-24-20(31)13-16/h5-6,9-14H,2-4,7-8H2,1H3,(H2,25,26,27,28,29)
InChIKeySPPUKLDVBYRYOJ-UHFFFAOYSA-N
XLogP4.96
TPSA83.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.94
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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
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
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
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
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-(4,6-dimethyl-2-pyridinyl)-6-N-imidazo[1,2-a]pyridin-7-yl-4-N-morpholin-4-ylpyrimidine-2,4,6-triamine
CID 139450017
4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(4-methyl-2-pyridinyl)pyrimidine-2,4,6-triamine
CID 139450238
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
3-[[4-(imidazo[1,2-a]pyridin-7-ylamino)-6-morpholin-4-ylpyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol
CID 145179646
N-[3-[[4-(imidazo[1,2-a]pyridin-7-ylamino)-6-morpholin-4-ylpyrimidin-2-yl]amino]-5-(trifluoromethyl)phenyl]acetamide
CID 145179634
6-ethoxy-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(4-methyl-2-pyridinyl)pyrimidine-2,4-diamine
CID 139450077
2-N-(6-butoxy-3-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 139450069

Frequently Asked Questions

What is the IUPAC name of 2-N-(6-chloro-4-methyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-ylpyrimidine-2,4-diamine?
The IUPAC name of 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) is 2-N-(6-chloro-4-methyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(6-chloro-4-methyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(6-chloro-4-methyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-ylpyrimidine-2,4-diamine is Cc1cc(Cl)nc(Nc2nc(Nc3ccn4ccnc4c3)cc(N3CCCCC3)n2)c1.
What is the InChIKey of 2-N-(6-chloro-4-methyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-ylpyrimidine-2,4-diamine?
The InChIKey is SPPUKLDVBYRYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN8/c1-15-11-17(23)26-18(12-15)27-22-28-19(14-21(29-22)30-7-3-2-4-8-30)25-16-5-9-31-10-6-24-20(31)13-16/h5-6,9-14H,2-4,7-8H2,1H3,(H2,25,26,27,28,29).
What are the key properties of 2-N-(6-chloro-4-methyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-ylpyrimidine-2,4-diamine?
2-N-(6-chloro-4-methyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-ylpyrimidine-2,4-diamine has a molecular weight of 434.94 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6-chloro-4-methyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 139450142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).