2-amino-6-chloro-N-[4-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H27ClN8O2 — CID 90199498

IUPAC2-amino-6-chloro-N-[4-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOC1(CN(C)C)CCN(c2ccncc2NC(=O)c2c(N)nn3cc(Cl)cnc23)CC1
InChIInChI=1S/C21H27ClN8O2/c1-28(2)13-21(32-3)5-8-29(9-6-21)16-4-7-24-11-15(16)26-20(31)17-18(23)27-30-12-14(22)10-25-19(17)30/h4,7,10-12H,5-6,8-9,13H2,1-3H3,(H2,23,27)(H,26,31)
InChIKeyIPSTZBRUUYFXEY-UHFFFAOYSA-N
MW458.95 g/mol
LogP2.16
Rot. Bonds6

About 2-amino-6-chloro-N-[4-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-chloro-N-[4-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199498) has the molecular formula C21H27ClN8O2 and a molecular weight of 458.95 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[4-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[4-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199498
Molecular FormulaC21H27ClN8O2
Molecular Weight458.95 g/mol
Exact Mass458.19
IUPAC Name2-amino-6-chloro-N-[4-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOC1(CN(C)C)CCN(c2ccncc2NC(=O)c2c(N)nn3cc(Cl)cnc23)CC1
InChIInChI=1S/C21H27ClN8O2/c1-28(2)13-21(32-3)5-8-29(9-6-21)16-4-7-24-11-15(16)26-20(31)17-18(23)27-30-12-14(22)10-25-19(17)30/h4,7,10-12H,5-6,8-9,13H2,1-3H3,(H2,23,27)(H,26,31)
InChIKeyIPSTZBRUUYFXEY-UHFFFAOYSA-N
XLogP2.16
TPSA113.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.95
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[4-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-[4-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199498) is 2-amino-6-chloro-N-[4-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-[4-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-[4-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COC1(CN(C)C)CCN(c2ccncc2NC(=O)c2c(N)nn3cc(Cl)cnc23)CC1.
What is the InChIKey of 2-amino-6-chloro-N-[4-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IPSTZBRUUYFXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN8O2/c1-28(2)13-21(32-3)5-8-29(9-6-21)16-4-7-24-11-15(16)26-20(31)17-18(23)27-30-12-14(22)10-25-19(17)30/h4,7,10-12H,5-6,8-9,13H2,1-3H3,(H2,23,27)(H,26,31).
What are the key properties of 2-amino-6-chloro-N-[4-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-chloro-N-[4-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 458.95 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[4-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).