2-amino-6-chloro-N-[4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H25ClN10O — CID 90199561

IUPAC2-amino-6-chloro-N-[4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(Cl)cnc2c1C(=O)Nc1cnccc1N1CCC(N2CCn3ccnc3C2)CC1
InChIInChI=1S/C23H25ClN10O/c24-15-11-28-22-20(21(25)30-34(22)13-15)23(35)29-17-12-26-4-1-18(17)31-6-2-16(3-7-31)33-10-9-32-8-5-27-19(32)14-33/h1,4-5,8,11-13,16H,2-3,6-7,9-10,14H2,(H2,25,30)(H,29,35)
InChIKeyPDCQWMAVDFCZIG-UHFFFAOYSA-N
MW492.98 g/mol
LogP2.29
Rot. Bonds4

About 2-amino-6-chloro-N-[4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-chloro-N-[4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199561) has the molecular formula C23H25ClN10O and a molecular weight of 492.98 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199561
Molecular FormulaC23H25ClN10O
Molecular Weight492.98 g/mol
Exact Mass492.19
IUPAC Name2-amino-6-chloro-N-[4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(Cl)cnc2c1C(=O)Nc1cnccc1N1CCC(N2CCn3ccnc3C2)CC1
InChIInChI=1S/C23H25ClN10O/c24-15-11-28-22-20(21(25)30-34(22)13-15)23(35)29-17-12-26-4-1-18(17)31-6-2-16(3-7-31)33-10-9-32-8-5-27-19(32)14-33/h1,4-5,8,11-13,16H,2-3,6-7,9-10,14H2,(H2,25,30)(H,29,35)
InChIKeyPDCQWMAVDFCZIG-UHFFFAOYSA-N
XLogP2.29
TPSA122.50 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.98
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-[4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199561) is 2-amino-6-chloro-N-[4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-[4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-[4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2cc(Cl)cnc2c1C(=O)Nc1cnccc1N1CCC(N2CCn3ccnc3C2)CC1.
What is the InChIKey of 2-amino-6-chloro-N-[4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PDCQWMAVDFCZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN10O/c24-15-11-28-22-20(21(25)30-34(22)13-15)23(35)29-17-12-26-4-1-18(17)31-6-2-16(3-7-31)33-10-9-32-8-5-27-19(32)14-33/h1,4-5,8,11-13,16H,2-3,6-7,9-10,14H2,(H2,25,30)(H,29,35).
What are the key properties of 2-amino-6-chloro-N-[4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-chloro-N-[4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 492.98 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).