N-[5-[5-[(2S)-2-amino-3,3-dimethylbutoxy]-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C23H29N5O2 — CID 164605702

IUPACN-[5-[5-[(2S)-2-amino-3,3-dimethylbutoxy]-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCc1cc(-c2ccn3nc(NC(=O)C4CC4)cc3c2)c(OC[C@@H](N)C(C)(C)C)cn1
InChIInChI=1S/C23H29N5O2/c1-14-9-18(19(12-25-14)30-13-20(24)23(2,3)4)16-7-8-28-17(10-16)11-21(27-28)26-22(29)15-5-6-15/h7-12,15,20H,5-6,13,24H2,1-4H3,(H,26,27,29)/t20-/m1/s1
InChIKeyBVRHQVBPIMVSTN-HXUWFJFHSA-N
MW407.52 g/mol
LogP3.81
Rot. Bonds6

About N-[5-[5-[(2S)-2-amino-3,3-dimethylbutoxy]-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[5-[(2S)-2-amino-3,3-dimethylbutoxy]-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 164605702) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[5-[5-[(2S)-2-amino-3,3-dimethylbutoxy]-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[5-[(2S)-2-amino-3,3-dimethylbutoxy]-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID164605702
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC NameN-[5-[5-[(2S)-2-amino-3,3-dimethylbutoxy]-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCc1cc(-c2ccn3nc(NC(=O)C4CC4)cc3c2)c(OC[C@@H](N)C(C)(C)C)cn1
InChIInChI=1S/C23H29N5O2/c1-14-9-18(19(12-25-14)30-13-20(24)23(2,3)4)16-7-8-28-17(10-16)11-21(27-28)26-22(29)15-5-6-15/h7-12,15,20H,5-6,13,24H2,1-4H3,(H,26,27,29)/t20-/m1/s1
InChIKeyBVRHQVBPIMVSTN-HXUWFJFHSA-N
XLogP3.81
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(2S)-2-amino-3,3-dimethylbutoxy]-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[5-[(2S)-2-amino-3,3-dimethylbutoxy]-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 164605702) is N-[5-[5-[(2S)-2-amino-3,3-dimethylbutoxy]-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[5-[(2S)-2-amino-3,3-dimethylbutoxy]-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[5-[(2S)-2-amino-3,3-dimethylbutoxy]-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is Cc1cc(-c2ccn3nc(NC(=O)C4CC4)cc3c2)c(OC[C@@H](N)C(C)(C)C)cn1.
What is the InChIKey of N-[5-[5-[(2S)-2-amino-3,3-dimethylbutoxy]-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is BVRHQVBPIMVSTN-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-14-9-18(19(12-25-14)30-13-20(24)23(2,3)4)16-7-8-28-17(10-16)11-21(27-28)26-22(29)15-5-6-15/h7-12,15,20H,5-6,13,24H2,1-4H3,(H,26,27,29)/t20-/m1/s1.
What are the key properties of N-[5-[5-[(2S)-2-amino-3,3-dimethylbutoxy]-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[5-[(2S)-2-amino-3,3-dimethylbutoxy]-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 407.52 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(2S)-2-amino-3,3-dimethylbutoxy]-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 164605702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).